# generated using pymatgen
data_Nb3TeI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73540468
_cell_length_b   7.73540265
_cell_length_c   7.15340710
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999059
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3TeI7
_chemical_formula_sum   'Nb3 Te1 I7'
_cell_volume   370.68889707
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Nb  Nb0  1  0.26349945  0.13175022  0.49925966  1.0
  Nb  Nb1  1  0.86824978  0.13175022  0.49925966  1.0
  Nb  Nb2  1  0.86824978  0.73650055  0.49925966  1.0
  Te  Te3  1  0.00000000  0.00000000  0.21002649  1.0
  I  I4  1  0.66331369  0.83165534  0.75680433  1.0
  I  I5  1  0.49969255  0.99938510  0.28137140  1.0
  I  I6  1  0.16834466  0.83165534  0.75680433  1.0
  I  I7  1  0.00061490  0.50030745  0.28137140  1.0
  I  I8  1  0.66666700  0.33333300  0.70726033  1.0
  I  I9  1  0.16834466  0.33668631  0.75680433  1.0
  I  I10  1  0.49969255  0.50030745  0.28137140  1.0